Structure Database (LMSD)

Common Name
Miconioside A
Systematic Name
Matteucinol 7-O-α-L-arabinopyranosyl(1->6)-β-D-glucopyranoside
Synonyms
  • 5,7-Dihydroxy-4'-methoxy-6,8-di-C-methylflavanone 7-O-alpha-L-arabinopyranosyl-(1->6)-beta-D-glucopyranoside
LM ID
LMPK12140330
Formula
C29H36O14
Exact Mass
Calculate m/z
608.21051
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Polyketides [PK]
Flavonoids [PK12]
Flavanones [PK1214]

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Viridiplantae (#33090)
Flavonoid imported from http://metabolomics.jp/

String Representations

InChiKey (Click to copy)
CUEAVYXDEUPPTP-LNRHCFMRSA-N
InChi (Click to copy)
InChI=1S/C29H36O14/c1-11-20(32)19-15(30)8-17(13-4-6-14(38-3)7-5-13)41-27(19)12(2)26(11)43-29-25(37)23(35)22(34)18(42-29)10-40-28-24(36)21(33)16(31)9-39-28/h4-7,16-18,21-25,28-29,31-37H,8-10H2,1-3H3/t16-,17-,18+,21-,22+,23-,24+,25+,28-,29-/m0/s1
SMILES (Click to copy)
C1(O[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO[C@H]3[C@H](O)[C@@H](O)[C@@H](O)CO3)O2)C(C)=C(O)C2C(=O)C[C@@H](C3C=CC(OC)=CC=3)OC=2C=1C

Other Databases

METABOLOMICS ID
FL2FABGM0003
PubChem CID
11050315

Calculated Physicochemical Properties

Heavy Atoms 43
Rings 5
Aromatic Rings 2
Rotatable Bonds 7
Van der Waals Molecular Volume 531.24
Topological Polar Surface Area 220.27
Hydrogen Bond Donors 7
Hydrogen Bond Acceptors 14
logP 2.51
Molar Refractivity 149.50

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Created at
-
Updated at
26th Oct 2021